1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-imidazol-1-yl-butyl]indole-6-carboxylic acid

Systemtic Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-imidazol-1-yl-butyl]indole-6-carboxylic acid Openeye Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-imidazol-1-yl-butyl]indole-6-carboxylic acid CAS Name: 1-[4-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-1-(1-imidazolyl)butyl]-6-indolecarboxylic acid IUPAC Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-imidazol-1-ylbutyl]indole-6-carboxylic acid Traditional Name: 1-[4-[4-(4-chlorobenzyl)piperazino]-1-imidazol-1-yl-butyl]indole-6-carboxylic acid Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(N2C=CN=C2)N3C=CC4=C3C=C(C=C4)C(=O)O)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCC(N2C=CN=C2)N3C=CC4=C3C=C(C=C4)C(=O)O)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN5O2/c28-24-7-3-21(4-8-24)19-31-16-14-30(15-17-31)11-1-2-26(32-13-10-29-20-32)33-12-9-22-5-6-23(27(34)35)18-25(22)33/h3-10,12-13,18,20,26H,1-2,11,14-17,19H2,(H,34,35)